6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine

C13H17N3O2 — CID 66327459

IUPAC6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)c2ccco2)c1C
InChIInChI=1S/C13H17N3O2/c1-4-17-13-9(2)12(14-8-15-13)16-10(3)11-6-5-7-18-11/h5-8,10H,4H2,1-3H3,(H,14,15,16)
InChIKeyMZUHTXHQOSALHX-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.95
Rot. Bonds5

About 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine

6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 66327459) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID66327459
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)c2ccco2)c1C
InChIInChI=1S/C13H17N3O2/c1-4-17-13-9(2)12(14-8-15-13)16-10(3)11-6-5-7-18-11/h5-8,10H,4H2,1-3H3,(H,14,15,16)
InChIKeyMZUHTXHQOSALHX-UHFFFAOYSA-N
XLogP2.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 66325620
N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728421
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327004
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
CID 66325636
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 79106161

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine (CID 66327459) is 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine is CCOc1ncnc(NC(C)c2ccco2)c1C.
What is the InChIKey of 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is MZUHTXHQOSALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-17-13-9(2)12(14-8-15-13)16-10(3)11-6-5-7-18-11/h5-8,10H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine?
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).